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epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Error message while trying to open InChi AuxInfo file in Standalone mode #454

Closed nseufulina closed 2 years ago

nseufulina commented 3 years ago

Steps to Reproduce

  1. Execute in standalone mode /v2/indigo/layout with the following parameters: struct: struct.zip options: {smart-layout: true, ignore-stereochemistry-errors: true, mass-skip-error-on-pseudoatoms: false,…} output_format: "chemical/x-mdl-molfile"

Expected behavior The same structure as in in struct.zip

Actual behavior Error: Convert error! Given string could not be loaded as (query or plaint) molecule or reaction, see the error messages: 'scanner: appendLine(): end of stream', 'scanner: appendLine(): end of stream', 'RXN loader: bad header InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3', 'RXN loader: bad header InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3'

AllaZhbanova commented 2 years ago

Fixed, tested Ketcher v.2.4